1,19,19-trimethyl-3,7,13-triazapentacyclo[14.2.1.02,15.03,8.09,14]nonadeca-2(15),4,7,9(14),10,12-hexaen-6-one

C19H19N3O — CID 90254122

IUPAC1,19,19-trimethyl-3,7,13-triazapentacyclo[14.2.1.02,15.03,8.09,14]nonadeca-2(15),4,7,9(14),10,12-hexaen-6-one
SMILESCC12CCC(c3c1n1ccc(=O)nc1c1cccnc31)C2(C)C
InChIInChI=1S/C19H19N3O/c1-18(2)12-6-8-19(18,3)16-14(12)15-11(5-4-9-20-15)17-21-13(23)7-10-22(16)17/h4-5,7,9-10,12H,6,8H2,1-3H3
InChIKeyFGQXCHVGGGYIRX-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.42
Rot. Bonds

About 1,19,19-trimethyl-3,7,13-triazapentacyclo[14.2.1.02,15.03,8.09,14]nonadeca-2(15),4,7,9(14),10,12-hexaen-6-one

1,19,19-trimethyl-3,7,13-triazapentacyclo[14.2.1.02,15.03,8.09,14]nonadeca-2(15),4,7,9(14),10,12-hexaen-6-one (PubChem CID 90254122) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 1,19,19-trimethyl-3,7,13-triazapentacyclo[14.2.1.02,15.03,8.09,14]nonadeca-2(15),4,7,9(14),10,12-hexaen-6-one.

Molecular Properties

Compound Name1,19,19-trimethyl-3,7,13-triazapentacyclo[14.2.1.02,15.03,8.09,14]nonadeca-2(15),4,7,9(14),10,12-hexaen-6-one
PubChem CID90254122
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name1,19,19-trimethyl-3,7,13-triazapentacyclo[14.2.1.02,15.03,8.09,14]nonadeca-2(15),4,7,9(14),10,12-hexaen-6-one
SMILESCC12CCC(c3c1n1ccc(=O)nc1c1cccnc31)C2(C)C
InChIInChI=1S/C19H19N3O/c1-18(2)12-6-8-19(18,3)16-14(12)15-11(5-4-9-20-15)17-21-13(23)7-10-22(16)17/h4-5,7,9-10,12H,6,8H2,1-3H3
InChIKeyFGQXCHVGGGYIRX-UHFFFAOYSA-N
XLogP3.42
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 1,19,19-trimethyl-3,7,13-triazapentacyclo[14.2.1.02,15.03,8.09,14]nonadeca-2(15),4,7,9(14),10,12-hexaen-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,19,19-trimethyl-3,7,13-triazapentacyclo[14.2.1.02,15.03,8.09,14]nonadeca-2(15),4,7,9(14),10,12-hexaen-6-one?
The IUPAC name of 1,19,19-trimethyl-3,7,13-triazapentacyclo[14.2.1.02,15.03,8.09,14]nonadeca-2(15),4,7,9(14),10,12-hexaen-6-one (CID 90254122) is 1,19,19-trimethyl-3,7,13-triazapentacyclo[14.2.1.02,15.03,8.09,14]nonadeca-2(15),4,7,9(14),10,12-hexaen-6-one.
What is the SMILES notation for 1,19,19-trimethyl-3,7,13-triazapentacyclo[14.2.1.02,15.03,8.09,14]nonadeca-2(15),4,7,9(14),10,12-hexaen-6-one?
The canonical SMILES for 1,19,19-trimethyl-3,7,13-triazapentacyclo[14.2.1.02,15.03,8.09,14]nonadeca-2(15),4,7,9(14),10,12-hexaen-6-one is CC12CCC(c3c1n1ccc(=O)nc1c1cccnc31)C2(C)C.
What is the InChIKey of 1,19,19-trimethyl-3,7,13-triazapentacyclo[14.2.1.02,15.03,8.09,14]nonadeca-2(15),4,7,9(14),10,12-hexaen-6-one?
The InChIKey is FGQXCHVGGGYIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-18(2)12-6-8-19(18,3)16-14(12)15-11(5-4-9-20-15)17-21-13(23)7-10-22(16)17/h4-5,7,9-10,12H,6,8H2,1-3H3.
What are the key properties of 1,19,19-trimethyl-3,7,13-triazapentacyclo[14.2.1.02,15.03,8.09,14]nonadeca-2(15),4,7,9(14),10,12-hexaen-6-one?
1,19,19-trimethyl-3,7,13-triazapentacyclo[14.2.1.02,15.03,8.09,14]nonadeca-2(15),4,7,9(14),10,12-hexaen-6-one has a molecular weight of 305.38 g/mol, XLogP of 3.42, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,19,19-trimethyl-3,7,13-triazapentacyclo[14.2.1.02,15.03,8.09,14]nonadeca-2(15),4,7,9(14),10,12-hexaen-6-one is sourced from PubChem (CID 90254122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).